KEGG   DRUG: Clogestone acetateHelp
Entry
D03549                      Drug                                   

Name
Clogestone acetate (USAN)
Formula
C25H33ClO5
Exact mass
448.2017
Mol weight
448.9795
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Contraceptive
Comment
Progestin
Other DBs
CAS: 3044-32-4
PubChem: 47205856
ChEMBL: CHEMBL2106484
LigandBox: D03549
NIKKAJI: J7.669D
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1z C    45.2353  -23.6114
            2   C1z C    44.0488  -24.2803
            3   C1x C    46.4105  -24.2979
            4   O7a O    46.4105  -22.9134
            5   C5a C    45.2238  -22.2386
            6   C1y C    44.0428  -25.6475
            7   C1x C    42.8795  -23.5939
            8   C1a C    44.0314  -22.9134
            9   C1x C    46.4048  -25.5891
            10  C7a C    47.5971  -23.5939
            11  C1a C    44.0255  -21.5463
            12  O5a O    46.4048  -21.5405
            13  C1y C    42.8562  -26.3280
            14  C1x C    41.6170  -24.2630
            15  C1a C    48.7780  -22.9075
            16  O6a O    47.5913  -24.9667
            17  C1y C    41.6754  -25.6299
            18  C2x C    42.8562  -27.6951
            19  C1z C    40.4885  -26.3164
            20  C2y C    41.6637  -28.3816
            21  C2y C    40.4828  -27.6835
            22  C1x C    39.3079  -25.6242
            23  C1a C    40.4771  -24.9435
            24  C2x C    39.3079  -28.3756
            25  C1x C    38.1153  -26.3164
            26  C1y C    38.1153  -27.6835
            27  X   Cl   41.6551  -29.7953
            28  O7a O    36.9093  -28.3781
            29  C7a C    35.7329  -27.6972
            30  C1a C    34.5369  -28.3861
            31  O6a O    35.7344  -26.3006
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14   10  15 1
            15   10  16 2
            16   13  17 1
            17   13  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 1
            21   19  22 1
            22   19  23 1 #Up
            23   21  24 2
            24   22  25 1
            25   24  26 1
            26    6   9 1
            27   14  17 1
            28   20  21 1
            29   25  26 1
            30   20  27 1
            31   26  28 1 #Up
            32   28  29 1
            33   29  30 1
            34   29  31 2

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